NSTEP = 12440000 TIME(PS) = 25030.000 TEMP(K) = 297.03 PRESS = -146.7 Etot = -37896.0859 EKtot = 6111.2588 EPtot = -44007.3447 BOND = 142.9507 ANGLE = 270.1484 DIHED = 461.9080 1-4 NB = 114.0677 1-4 EEL = -1371.6910 VDWAALS = 5286.6899 EELEC = -48911.4183 EHBOND = 0.0000 RESTRAINT = 0.0000 EKCMT = 2899.0310 VIRIAL = 3217.2873 VOLUME = 100504.1536 Density = 1.0443 ------------------------------------------------------------------------------ | Current Timing Info | ------------------- | Total steps: 12500000 | Completed: 12440000 ( 99.5%) | Remaining: 60000 | | Average timings for last 110000 steps: | Elapsed(s) = 62.36 Per Step(ms) = 0.57 | ns/day = 304.82 seconds/ns = 283.44 | | Average timings for all steps: | Elapsed(s) = 7032.16 Per Step(ms) = 0.57 | ns/day = 305.69 seconds/ns = 282.64 | | | Estimated time remaining: 33.9 seconds. ------------------------------------------------------------------------------